Thierry De Meyer

Publications

A1 publications

Published

2016

[A1 Publication] Acidity constant (pKa) calculation of large solvated dye molecules: evaluation of two advanced molecular dynamics methods

Authors

De Meyer T.; Ensing B.; Rogge S. M. J.; De Clerck K.; Meijer E. J.; Van Speybroeck V.

ChemPhysChem 2016. 17(21): 3447 - 3459.

http://dx.doi.org/10.1002/cphc.201600734

[A1 Publication] Halochromic properties of sulfonphthaleine dyes in a textile environment: the influence of substituents

Authors

De Meyer T.; Steyaert I.; Hemelsoet K.; Hoogenboom R.; Van Speybroeck V.; De Clerck K.

Dyes and Pigments 2016. 124(2016): 249-257.

http://dx.doi.org/10.1016/j.dyepig.2015.09.007

2014

[A1 Publication] Exploring the Vibrational Fingerprint of the Electronic Excitation Energy via Molecular Dynamics

Authors

Van Yperen-De Deyne A.; De Meyer T.; Pauwels E.; Ghysels A.; De Clerck K.; Waroquier M.; Van Speybroeck V.; Hemelsoet K.

Journal of Chemical Physics 2014. 140(13): 134105. IF: 2.952 8/34 [Q1]

http://dx.doi.org/10.1063/1.4869937

[A1 Publication] Substituent effects on absorption spectra of pH-indicators: An experimental and computational study of sulfonphthaleine dyes

Authors

De Meyer T.; Hemelsoet K.; Van Speybroeck V.; De Clerck K.

Dyes and Pigments 2014. 102: 241 - 250. IF: 3.966 1/22 [Q1]

http://dx.doi.org/10.1016/j.dyepig.2013.10.048

2013

[A1 Publication] Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations

Authors

Hemelsoet K.; Qian Q.; De Meyer T.; De Wispelaere K.; De Sterck B.; Weckhuysen B. M.; Waroquier M.; Van Speybroeck V.

Chemistry-A European Journal 2013. 19(49): 16595 - 16606. IF: 3.7 95/239 [Q2]

http://dx.doi.org/10.1002/chem.201301965

[A1 Publication] Polycaprolactone and polycaprolactone/chitosan nanofibres functionalised with the pH-sensitive dye Nitrazine Yellow

Authors

Van der Schueren L.; De Meyer T.; Steyaert I.; Ceylan O.; Hemelsoet K.; Van Speybroeck V.; De Clerck K.

Carbohydrate Polymers 2013. 91(1): 284 - 293.

http://dx.doi.org/10.1016/j.carbpol.2012.08.003

2012

[A1 Publication] Investigating the Halochromic Properties of Azo Dyes in an Aqueous Environment by Using a Combined Experimental and Theoretical Approach

Authors

De Meyer T.; Hemelsoet K.; Van der Schueren L.; Pauwels E.; De Clerck K.; Van Speybroeck V.

Chemistry-A European Journal 2012. 18(26): 8120 - 8129. IF: 3.7 95/239 [Q2]

http://dx.doi.org/10.1002/chem.201103633

Other publications

Dissertations [MSc and PhD]

PhD thesis

2016

[PhD Thesis] Experimental and computational study of the pH-sensitive properties of organic dye molecules

Authors

De Meyer T.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. ir.

De Clerck K.

Doctor of Materials Engineering, 20/09/2016.

Master thesis

2011

[MSc Thesis] Invloed van vezelmaterialen op het halochromisme van ethyloranje: een experimentele en computationele studie

Authors

De Meyer T.

Supervisor(s):

prof. dr. ir.

De Clerck K.

prof. dr. ir. Veronique Van Speybroeck

Master of Science in Materials Engineering, 2011.

Talks

2015

[Talk] The vibrational fingerprint of the electronic excitation energy of molecular systems via Molecular Dynamics

Authors

Van Yperen-De Deyne A.; De Meyer T.; Ghysels A.; Pauwels E.; Waroquier M.; Van Speybroeck V.; Hemelsoet K.

IAP, joint WP1/PL1 meeting, Mons, BE, 05/02/2015

2014

[Talk] Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthaleine dyes

Authors

De Meyer T.; De Clerck K.; Van Speybroeck V.

WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems, Concepción, CL, 05/10/2014 - 10/10/2014

[Talk] A theoretical assignment scale of aromatic and aliphatic MTO intermediates

Authors

Hemelsoet K.; Qian Q.; De Wispelaere K.; De Meyer T.; Van Yperen-De Deyne A.; Waroquier M.; Weckhuysen B. M.; Van Speybroeck V.

NCCC XV, Noordwijkerhout, NL, 10/03/2014 - 12/03/2014

[Talk] Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthaleine dyes

Authors

De Meyer T.; Hemelsoet K.; De Clerck K.; Van Speybroeck V.

12th Chemistry Conference for Young Scientists (ChemCys 2014), Blankenberge, BE, 27/02/2014 - 28/02/2014

2013

[Talk] Characterization of Methanol-to-Olefin Intermediates in Chabazite Zeolites using in-situ UV/Vis Microspectroscopy combined with Ab Initio Simulations

Authors

Hemelsoet K.; Qian Q.; De Wispelaere K.; De Meyer T.; Van Yperen-De Deyne A.; Waroquier M.; Weckhuysen B. M.; Van Speybroeck V.

XIth European Congress on Catalysis, Lyon, FR, 01/09/2013 - 06/09/2013

2012

[Talk] Colour changing wound bandages

Authors

De Meyer T.

13th FEA PhD Symposium, Ghent, BE, 05/12/2012

[Talk] pH-sensitivity of azo dyes

Authors

De Meyer T.; Van der Schueren L.; Hemelsoet K.; Van Speybroeck V.; De Clerck K.

Fiber Society Spring Conference 2012, Lausanne, CH, 23/05/2012 - 25/05/2012

Posters

2015

[Poster] pKa calculations based on advanced MD simulations

Authors

De Meyer T.; Ensing B.; Hemelsoet K.; De Clerck K.; Van Speybroeck V.; Meijer E. J.

CHAINS2015, Veldhoven, NL, 01/12/2015 - 02/12/2015

[Poster] pKa calculations based on advanced MD simulations

Authors

De Meyer T.; Ensing B.; Hemelsoet K.; De Clerck K.; Van Speybroeck V.; Meijer E. J.

Holland Research School of Molecular Chemistry Symposium 2015, Amsterdam, NL, 05/11/2015

[Poster] The vibrational fingerprint of the electronic excitation energy of molecular systems via molecular dynamics

Authors

Van Yperen-De Deyne A.; De Meyer T.; Ghysels A.; Pauwels E.; Waroquier M.; Van Speybroeck V.; Hemelsoet K.

Next generation quantum based molecular dy-namics: challenges and perspectives, Bremen, DE, 13/07/2015 - 17/07/2015

2014

[Poster] Substituent effects on absorption spectra of pH-indicators: An experimental and computational study of sulfonphthaleine dyes

Authors

De Meyer T.; Hemelsoet K.; Van Speybroeck V.; De Clerck K.

WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems, Concepción, CL, 05/10/2014 - 10/10/2014

[Poster] Interaction of pH-indicators with polymers: influence of substituents

Authors

De Meyer T.; Hemelsoet K.; Hoogenboom R.; De Clerck K.; Van Speybroeck V.

Annual IAP Meeting (P7/05), Louvain-la-Neuve, BE, 19/09/2014

[Poster] Characterisation of aromatic and aliphatic MTO intermediates using theoretical excitation and emission spectra

Authors

Hemelsoet K.; Qian Q.; De Wispelaere K.; De Meyer T.; Ruiz-Martinez J.; Waroquier M.; Weckhuysen B. M.; Van Speybroeck V.

6 th FEZA Conference 2014, Leipzig, DE, 08/09/2014 - 11/09/2014

2013

[Poster] Halochromic properties of sulfonphthaleine dyes

Authors

De Meyer T.; Hemelsoet K.; De Clerck K.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations

Authors

Hemelsoet K.; Qian Q.; De Meyer T.; De Wispelaere K.; Weckhuysen B. M.; Waroquier M.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Vibrational Fingerprint of Spectroscopic Properties

Authors

Van Yperen-De Deyne A.; De Meyer T.; Ghysels A.; Hemelsoet K.; Pauwels E.; Van Speybroeck V.; Waroquier M.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Vibrational Fingerprint of Spectroscopic Properties

Authors

Van Yperen-De Deyne A.; De Meyer T.; Ghysels A.; Hemelsoet K.; Pauwels E.; Van Speybroeck V.; Waroquier M.

Time Dependent - Density Functional Theory conference 2013, Nantes, FR, 23/04/2013 - 26/04/2013

[Poster] pH-sensitive dyes in aqueous solution

Authors

De Meyer T.; Hemelsoet K.; Van Yperen-De Deyne A.; De Clerck K.; Van Speybroeck V.

Time Dependent - Density Functional Theory conference 2013, Nantes, FR, 23/04/2013 - 26/04/2013

2012

[Poster] UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study

Authors

De Meyer T.; Hemelsoet K.; Van der Schueren L.; Pauwels E.; De Clerck K.; Van Speybroeck V.

DFTM2012, Ghent, BE, 01/04/2012 - 06/04/2012

[Poster] The pH-sensitive properties of azo dyes in aqueous environment

Authors

De Meyer T.; Hemelsoet K.; Van der Schueren L.; Pauwels E.; De Clerck K.; Van Speybroeck V.

QCB10, Brussels, BE, 10/02/2012

[Poster] The pH-sensitive properties of azo dyes in aqueous environment

Authors

De Meyer T.; Hemelsoet K.; Van der Schueren L.; Pauwels E.; De Clerck K.; Van Speybroeck V.

MolSim 2012, Amsterdam, NL, 09/01/2012 - 20/01/2012

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Thierry De Meyer

Publications

A1 publications

Published

2016

2014

2013

2012

Other publications

Dissertations [MSc and PhD]

PhD thesis

2016

Master thesis

2011

Talks

2015

2014

2013

2012

Posters

2015

2014

2013

2012

Contact information

References